4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole

C15H11ClN2OS — CID 175271280

IUPAC4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(Cl)cc2-c2cscn2)cn1
InChIInChI=1S/C15H11ClN2OS/c1-19-15-5-2-10(7-17-15)12-4-3-11(16)6-13(12)14-8-20-9-18-14/h2-9H,1H3
InChIKeyOOOKITKPRREHNT-UHFFFAOYSA-N
MW302.79 g/mol
LogP4.53
Rot. Bonds3

About 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole

4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole (PubChem CID 175271280) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
PubChem CID175271280
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole
SMILESCOc1ccc(-c2ccc(Cl)cc2-c2cscn2)cn1
InChIInChI=1S/C15H11ClN2OS/c1-19-15-5-2-10(7-17-15)12-4-3-11(16)6-13(12)14-8-20-9-18-14/h2-9H,1H3
InChIKeyOOOKITKPRREHNT-UHFFFAOYSA-N
XLogP4.53
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
The IUPAC name of 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole (CID 175271280) is 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole.
What is the SMILES notation for 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
The canonical SMILES for 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole is COc1ccc(-c2ccc(Cl)cc2-c2cscn2)cn1.
What is the InChIKey of 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
The InChIKey is OOOKITKPRREHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c1-19-15-5-2-10(7-17-15)12-4-3-11(16)6-13(12)14-8-20-9-18-14/h2-9H,1H3.
What are the key properties of 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole?
4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole has a molecular weight of 302.79 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(6-methoxy-3-pyridinyl)phenyl]-1,3-thiazole is sourced from PubChem (CID 175271280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).